In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 13 | Yes |
Popular Name: (2S)-N1-(1,1,3,3-tetramethylbutyl)propane-1,2-diamine (2S)-N1-(1,1,3,3-tetramethylbuty…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.09 | 4.48 | -113.77 | 5 | 2 | 2 | 44 | 188.359 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 4.06 | -27.54 | 4 | 2 | 1 | 43 | 187.351 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 4.04 | -40.39 | 4 | 2 | 1 | 40 | 187.351 | 5 | ↓ |